RefChem:404553
TL;DR: RefChem:404553 (CAS 623936-23-2) is a chemical compound with molecular formula C29H23ClFN3O2S2 and molecular weight 563.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-[(2-chlorophenyl)methyl]-5-[[3-(3-fluoro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: SALOR-INT L438952-1EA, (5Z)-3-(2-chlorobenzyl)-5-{[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-(2-Chlorobenzyl)-5-((3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-(2-chlorobenzyl)-5-{[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-[(2-chlorophenyl)methyl]-5-[[3-(3-fluoro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C29H23ClFN3O2S2 |
|---|---|
| Molecular Weight | 563.09 g/mol |
| LogP | 7.522 |
| Topological Polar Surface Area | 47.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 563.09045 |
| Heavy Atoms | 38 |
| Complexity | 1538.0826 |
Chemical Identifiers
| CAS Number | 623936-23-2 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CC=C4Cl)C5=CC=CC=C5)F |
Product Overview
RefChem:404553 (CAS 623936-23-2), with molecular formula C29H23ClFN3O2S2 and molecular weight 563.09 g/mol. IUPAC: (5Z)-3-[(2-chlorophenyl)methyl]-5-[[3-(3-fluoro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:404553
Property Insights of RefChem:404553
The XLogP value of 7.522 indicates that RefChem:404553 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.36 Ų, RefChem:404553 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:404553 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:404553?
The CAS number of RefChem:404553 is 623936-23-2.
What is the molecular formula of RefChem:404553?
The molecular formula of RefChem:404553 is C29H23ClFN3O2S2.
What is the molecular weight of RefChem:404553?
The molecular weight of RefChem:404553 is 563.09 g/mol.
Where can I buy RefChem:404553?
You can request a quote for RefChem:404553 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404553?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404553 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.